SCHEMBL15080253

SCHEMBL15080253

CSc1ccc(Oc2ccc(N(c3ccccc3)[SH](=O)=O)cc2CN(C)C)cc1C

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 20/20 0.58
HTR2A P28223 5/20 0.44
KCNH2 Q12809 3/20 0.44
SLC6A2 P23975 6/20 0.41
SLC6A3 Q01959 5/20 0.41
HRH3 Q9Y5N1 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6945663 0.83 SLC6A4 (0.66) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL6945794 0.80 SLC6A4 (0.69) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL6947234 0.78 SLC6A4 (0.65) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL14299109 0.77 SLC6A4 (0.71) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL7211594 0.77 SLC6A4 (0.69) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL6943559 0.76 SLC6A4 (0.69) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL13395735 0.76 SLC6A4 (0.66) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL6947187 0.76 SLC6A4 (0.70) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL6945367 0.74 SLC6A4 (0.59) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL6947231 0.74 SLC6A4 (0.67) SLC6A4HTR2AKCNH2SLC6A2SLC6A3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8475804-B2 Compositions and methods for treatment of filovirus-mediated diseases U.S. ARMY MEDICAL RESEARCH AND MATERIAL COMMAND (US) 2013-07-02 US disclosed
US-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES ZALICUS INC. 2011-02-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS SLC6A4 4537/4885HTR2A 4618/4885KCNH2 2148/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.